(4E,6E,8E,12Z,14E,16E,19Z)-2-[(6E,8E,10E)-3,12-dihydroxy-13-[(2S,3R,4S,5R,6R)-4-hydroxy-3,5-dimethoxy-6-methyl-oxan-2-yl]oxy-4-methyl-5-oxo-tetradeca-6,8,10-trien-2-yl]-10,18-dihydroxy-12,16,19-trimethyl-1-oxacyclodocosa-4,6,8,12,14,16,19-heptaene-11,22-dione
Molecular Formula:
C47H66O13
InChI: InChI=1/C47H66O13/c1-29-20-19-21-31(3)42(53)38(50)24-17-11-10-12-18-25-40(60-41(52)27-26-30(2)39(51)28-29)33(5)43(54)32(4)36(48)22-15-13-14-16-23-37(49)34(6)58-47-46(57-9)44(55)45(56-8)35(7)59-47/h10-24,26,28,32-35,37-40,43-47,49-51,54-55H,25,27H2,1-9H3/b11-10+,14-13+,18-12+,20-19+,22-15+,23-16+,24-17+,29-28+,30-26-,31-21+/t32u,33u,34u,35-,37?,38?,39?,40?,43?,44+,45+,46-,47-/m1/s1/i1+1,3+1,6+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1,19+1,20+1,21+1,23+1,24+1,25+1,26+1,27+1,28+1,29+1,30+1,32+1,33+1,34+1,37+1,38+1,39+1,40+1,41+1,43+1
InChIKey: InChIKey=FXSFWUNCIOIMAC-PKTGBOIAFT
SMILES: CC1C(C(C(C(O1)OC(C)C(C=CC=CC=CC(=O)C(C)C(C(C)C2CC=CC=CC=CC(C(=O)C(=CC=CC(=CC(C(=CCC(=O)O2)C)O)C)C)O)O)O)OC)O)OC
Names:
(4E,6E,8E,12Z,14E,16E,19Z)-2-[(6E,8E,10E)-3,12-dihydroxy-13-[(2S,3R,4S,5R,6R)-4-hydroxy-3,5-dimethoxy-6-methyl-oxan-2-yl]oxy-4-methyl-5-oxo-tetradeca-6,8,10-trien-2-yl]-10,18-dihydroxy-12,16,19-trimethyl-1-oxacyclodocosa-4,6,8,12,14,16,19-heptaene-11,22-dione
Registries:
PubChem CID 11766153
PubChem ID 16874205
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